8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide

C21H22N8O2 — CID 155513034

IUPAC8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC(C)C)cnc12
InChIInChI=1S/C21H22N8O2/c1-13(2)25-20(30)16-12-24-19-15(22-3)11-17(27-29(16)19)26-14-7-6-10-28(21(14)31)18-8-4-5-9-23-18/h4-13,22H,1-3H3,(H,25,30)(H,26,27)
InChIKeyWLGOWPBKWCEHSR-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.20
Rot. Bonds6

About 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide

8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155513034) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID155513034
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC(C)C)cnc12
InChIInChI=1S/C21H22N8O2/c1-13(2)25-20(30)16-12-24-19-15(22-3)11-17(27-29(16)19)26-14-7-6-10-28(21(14)31)18-8-4-5-9-23-18/h4-13,22H,1-3H3,(H,25,30)(H,26,27)
InChIKeyWLGOWPBKWCEHSR-UHFFFAOYSA-N
XLogP2.20
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Analyze 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo[1(2H),2'-bipyridin]-3-yl)amino]-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441492
Etc-159
CID 86280523
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71538978
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449296
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925933
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768412
2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
6-methyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328248
6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328636
6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330913

Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 155513034) is 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC(C)C)cnc12.
What is the InChIKey of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is WLGOWPBKWCEHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-13(2)25-20(30)16-12-24-19-15(22-3)11-17(27-29(16)19)26-14-7-6-10-28(21(14)31)18-8-4-5-9-23-18/h4-13,22H,1-3H3,(H,25,30)(H,26,27).
What are the key properties of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155513034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).